N-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide

C16H25N3O3S — CID 31977352

IUPACN-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide
SMILESCCC[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccccc1
InChIInChI=1S/C16H25N3O3S/c1-2-6-15(13-7-4-3-5-8-13)18-16(20)14-9-11-19(12-10-14)23(17,21)22/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,18,20)(H2,17,21,22)/t15-/m0/s1
InChIKeyLIKRPPAAERYNNM-HNNXBMFYSA-N
MW339.46 g/mol
LogP1.56
Rot. Bonds6

About N-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide

N-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide (PubChem CID 31977352) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide
PubChem CID31977352
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide
SMILESCCC[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccccc1
InChIInChI=1S/C16H25N3O3S/c1-2-6-15(13-7-4-3-5-8-13)18-16(20)14-9-11-19(12-10-14)23(17,21)22/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,18,20)(H2,17,21,22)/t15-/m0/s1
InChIKeyLIKRPPAAERYNNM-HNNXBMFYSA-N
XLogP1.56
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120672295
(2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid
CID 119367985
N-[(1S)-1-phenylbutyl]oxane-4-carboxamide
CID 95203312
tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate
CID 43017509
N-[1-(4-methoxyphenyl)propyl]-1-sulfamoylpiperidine-4-carboxamide
CID 43072801
1-benzylsulfonyl-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 92676349
1-(2-nitrophenyl)-N-(1-phenylbutyl)piperidine-4-carboxamide
CID 17499311
1-methyl-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 50875269
N-[(1R)-3-methyl-1-phenylbutyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 25478191
1-[(4-fluorophenyl)methylsulfonyl]-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 92680370
1-[(4-chlorophenyl)methylsulfonyl]-N-[(1S)-1-phenylpropyl]piperidine-4-carboxamide
CID 93486857
3-[(1-methylpyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 60922108

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide (CID 31977352) is N-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide is CCC[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide?
The InChIKey is LIKRPPAAERYNNM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-2-6-15(13-7-4-3-5-8-13)18-16(20)14-9-11-19(12-10-14)23(17,21)22/h3-5,7-8,14-15H,2,6,9-12H2,1H3,(H,18,20)(H2,17,21,22)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide?
N-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide is sourced from PubChem (CID 31977352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).